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The Benzenemethanamine,4-chloro-a-methyl-, (aS)- with CAS registry number of 4187-56-8 is also known as (S)-4-Chloro-a-methylbenzenemethanamine. The IUPAC name is (1S)-1-(4-Chlorophenyl)ethanamine. In addition, the formula is C8H10ClN and the molecular weight is 155.62. This chemical is a clear colorless to yellowish liquid and should be sealed in ventilated and dry place away light.
Physical properties about Benzenemethanamine,4-chloro-a-methyl-, (aS)- are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): -1.02; (3)ACD/LogD (pH 7.4): -0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.69; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 44.23 cm3; (13)Molar Volume: 138.6 cm3; (14)Surface Tension: 39.4 dyne/cm; (15)Density: 1.122 g/cm3; (16)Flash Point: 100.9 °C; (17)Enthalpy of Vaporization: 46.25 kJ/mol; (18)Boiling Point: 225.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0842 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to respiratory system and skin. It is toxic if swallowed and toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. It also can cause burns and has risk of serious damage to eyes. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid release to the environment. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C1=CC=C(C=C1)Cl)N
2. Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)Cl)N
3. InChI: InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
4. InChIKey: PINPOEWMCLFRRB-LURJTMIESA-N